(1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid

C17H21NO2 — CID 10956621

IUPAC(1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid
SMILESC[C@@]1(C(=O)O)C=Cc2ccccc2[C@@H]1N1CCCCC1
InChIInChI=1S/C17H21NO2/c1-17(16(19)20)10-9-13-7-3-4-8-14(13)15(17)18-11-5-2-6-12-18/h3-4,7-10,15H,2,5-6,11-12H2,1H3,(H,19,20)/t15-,17+/m0/s1
InChIKeyFHWPTEGXVVWHDS-DOTOQJQBSA-N
MW271.36 g/mol
LogP3.33
Rot. Bonds2

About (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid

(1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid (PubChem CID 10956621) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid
PubChem CID10956621
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid
SMILESC[C@@]1(C(=O)O)C=Cc2ccccc2[C@@H]1N1CCCCC1
InChIInChI=1S/C17H21NO2/c1-17(16(19)20)10-9-13-7-3-4-8-14(13)15(17)18-11-5-2-6-12-18/h3-4,7-10,15H,2,5-6,11-12H2,1H3,(H,19,20)/t15-,17+/m0/s1
InChIKeyFHWPTEGXVVWHDS-DOTOQJQBSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid
CID 10490573
1-(1H-inden-1-yl)azepane
CID 151689000
1,2-dimethyl-2-phenyl-3-piperidin-1-yl-3H-indole
CID 174391679
1-(1-methylcyclohexyl)-1H-indene
CID 150220559
(Z)-but-2-enedioic acid;1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine
CID 70458526
1,1-dimethyl-11bH-benzo[a]quinolizin-2-one
CID 132541281
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
CID 65069110
(3,3,5,5-tetramethyl-4-piperidin-1-ylcyclohexen-1-yl) benzoate
CID 174821550
1-(2,3-dihydro-1-benzofuran-3-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595372
6-chloro-1-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 170991470
2-(7-methylbenzo[7]annulen-7-yl)acetic acid
CID 147570229
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
CID 125470128

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid (CID 10956621) is (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid is C[C@@]1(C(=O)O)C=Cc2ccccc2[C@@H]1N1CCCCC1.
What is the InChIKey of (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid?
The InChIKey is FHWPTEGXVVWHDS-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(16(19)20)10-9-13-7-3-4-8-14(13)15(17)18-11-5-2-6-12-18/h3-4,7-10,15H,2,5-6,11-12H2,1H3,(H,19,20)/t15-,17+/m0/s1.
What are the key properties of (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid?
(1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-methyl-1-piperidin-1-yl-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 10956621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).